NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0303 8.0244 114.2633 61.1384 37.9136 174.5005 2 D 4.5346 8.0744 125.6186 54.3135 41.8502 176.6017 3 T 4.0877 8.3394 116.7672 67.1387 69.6012 176.5131 4 C 4.3307 7.8162 117.1007 58.3395 40.4970 175.2481 5 R 3.8742 7.3343 117.4381 57.6894 30.3254 177.3940 6 L 3.9937 7.4076 118.1649 54.1543 41.9289 174.9834 7 P 4.5584 0.0000 0.0000 62.0122 31.3916 175.9377 8 S 4.3201 8.7232 120.3957 57.8535 63.6182 173.6761 9 D 4.5814 8.1356 124.8150 53.3996 42.1137 176.5006 10 R 3.6739 8.2120 122.1076 56.0279 30.9926 176.2168 11 G 4.5375 7.9691 100.1900 44.7919 0.0000 173.2120 12 R 3.6277 7.6848 123.4015 57.3173 31.2088 180.3586 13 C 4.4192 7.6239 118.0810 58.5605 39.8858 174.1257 14 K 4.2564 8.5646 125.4484 57.1788 31.7336 175.7517 15 A 4.6350 6.8142 121.6229 50.8732 21.6142 177.6527 16 S 4.6854 7.3688 107.9542 57.8031 63.3352 173.9294 17 F 5.0777 8.1341 120.9791 54.8982 42.3336 175.0058 18 E 5.3782 8.9354 121.7297 56.0137 30.4872 176.0231 19 R 5.0347 8.7486 121.3654 54.5712 35.5348 173.4513 20 W 5.5333 9.5531 119.4907 54.8444 32.1651 175.0954 21 Y 5.2727 7.2321 118.6494 55.4541 41.2301 173.6367 22 F 4.7535 8.7549 119.1290 57.0162 40.0422 175.8356 23 N 4.8902 9.4041 121.8985 51.5500 38.4251 173.0277 24 G 4.3528 9.0755 115.2180 44.8945 0.0000 172.4531 25 R 4.5002 7.6415 111.8435 56.1890 33.2553 175.1862 26 T 4.3854 7.6501 114.2529 61.9898 70.5079 173.9783 27 C 4.9726 8.2086 120.2603 56.6030 37.0968 172.1853 28 A 4.3467 7.9672 120.5732 51.1127 22.7226 174.9140 29 K 4.8074 7.9336 118.5723 55.0457 35.4173 174.8527 30 F 4.8153 8.6227 119.9660 56.5724 41.3909 173.0241 31 I 4.4918 8.4603 120.2668 60.7066 36.8378 175.0096 32 Y 4.4501 9.4189 129.9848 55.8722 38.2757 175.8348 33 G 3.9940 8.7083 115.6303 46.7644 0.0000 172.4342 34 G 3.0912 6.7654 106.7871 44.9388 0.0000 174.0971 35 C 4.6255 7.9267 118.1352 58.6954 37.5567 173.0691 36 G 4.5808 9.6941 114.9387 45.8569 0.0000 170.9248 37 G 4.2919 7.6964 110.6507 44.6152 0.0000 168.8491 38 N 4.8217 8.4300 117.1036 52.1089 39.2509 174.4760 39 G 4.0707 7.7377 110.1991 44.1974 0.0000 172.8172 40 N 5.1490 8.3150 118.1937 55.2327 40.2937 174.9297 41 K 4.5167 8.1184 119.0070 56.6629 33.4371 176.0912 42 F 4.5710 8.3778 119.2841 56.4951 43.5757 173.2444 43 P 4.5600 0.0000 0.0000 65.5686 31.0309 176.7426 44 T 4.9481 7.9613 108.7129 59.6743 71.4188 174.9777 45 Q 3.3608 7.5214 122.7726 58.5422 28.6794 177.6786 46 E 3.7698 7.9245 120.0358 59.2660 29.5706 178.4444 47 A 3.8128 7.4135 119.4680 54.6445 18.2246 178.7461 48 C 3.5394 7.3693 116.5918 59.7110 42.7154 175.4449 49 M 3.8931 8.2242 120.6587 57.6667 31.6815 178.2027 50 K 4.0078 7.8119 118.6607 58.2618 32.1662 178.4595 51 R 4.1894 7.6909 116.5662 57.4932 30.7393 176.1718 52 C 4.7731 7.9994 115.5282 56.8580 45.8109 174.5956 53 A 4.0191 7.9609 120.8542 53.1702 18.7918 177.6011 54 K 4.2179 8.2280 115.8673 57.2767 33.5477 175.9761 55 A 4.1937 7.2789 123.0440 52.2459 18.4466 176.7654 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 I 8.02 4.03 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.85 0.00 0.00 2 D 8.07 4.53 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.34 4.09 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 4 C 7.82 4.33 0.00 2.88 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.33 3.87 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 6 L 7.41 3.99 0.00 1.69 1.65 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.56 0.00 2.19 2.13 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 8 S 8.72 4.32 0.00 4.14 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.14 4.58 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.21 3.67 0.00 1.60 1.83 0.00 3.23 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 11 G 7.97 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.68 3.63 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.30 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 13 C 7.62 4.42 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.56 4.26 0.00 1.70 1.78 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 15 A 6.81 4.63 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.37 4.69 0.00 3.70 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.13 5.08 0.00 3.23 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.94 5.38 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.14 0.00 19 R 8.75 5.03 0.00 2.08 2.35 0.00 3.58 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 20 W 9.55 5.53 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.23 5.27 0.00 3.21 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.75 4.75 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.40 4.89 0.00 2.52 2.75 0.00 0.00 7.27 5.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.08 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.64 4.50 0.00 1.85 1.99 0.00 3.07 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 26 T 7.65 4.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 27 C 8.21 4.97 0.00 2.74 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.97 4.35 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.93 4.81 0.00 1.13 1.25 0.00 0.61 0.00 0.00 1.79 0.00 0.00 2.48 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.44 0.21 7.81 30 F 8.62 4.82 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.46 4.49 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.86 0.00 0.00 32 Y 9.42 4.45 0.00 2.82 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.71 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 6.77 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.93 4.63 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.69 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.70 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.43 4.82 0.00 2.77 2.68 0.00 0.00 5.84 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.32 5.15 0.00 3.13 2.92 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.12 4.52 0.00 1.62 1.57 0.00 1.39 0.00 0.00 0.61 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.48 7.81 42 F 8.38 4.57 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.56 0.00 2.08 2.21 0.00 4.06 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 44 T 7.96 4.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 45 Q 7.52 3.36 0.00 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.48 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 46 E 7.92 3.77 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 47 A 7.41 3.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 7.37 3.54 0.00 2.48 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.22 3.89 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 50 K 7.81 4.01 0.00 1.82 1.70 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 51 R 7.69 4.19 0.00 2.26 1.95 0.00 3.48 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 52 C 8.00 4.77 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.96 4.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.23 4.22 0.00 1.73 1.92 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.33 7.81 55 A 7.28 4.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00